Vitas-M small molecule compound

7-(3-bromobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK009738
SMILES C/C(=C\CSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C)/Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H16BrClN4O2S MW 455.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrClN4O2S/c1-10(19)6-7-26-17-20-14-13(15(24)21-16(25)22(14)2)23(17)9-11-4-3-5-12(18)8-11/h3-6,8H,7,9H2,1-2H3,(H,21,24,25)/b10-6+
InChIKey
JHWLVNXUVYLTGT-UXBLZVDNSA-N
Synonyms

(E)7(3bromobenzyl)8((3chlorobut2en1yl)thio)3methyl1Hpurine26(3H7H)dione
7((3BROMOPHENYL)METHYL)8((E)3CHLOROBUT2ENYL)SULFANYL3METHYLPURINE26DIONE
7(3BROMOBENZYL)8(((2E)3CHLOROBUT2EN1YL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(3BROMOBENZYL)8(((2E)3CHLOROBUT2EN1YL)SULFANYL)6HYDROXY3METHYL37DIHYDRO2HPURIN2ONE
CC(=CCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C)Cl
CC(=CCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C)Cl
InChI=1SC17H16BrClN4O2Sc110(19)672617201413(15(24)2116(25)22(14)2)23(17)91143512(18)811h368H79H212H3(H212425)b106+
MFCD01556684
STK009738
ZINC08934282
ZINC8934282

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Available files

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